Tm3SiSe2
Alexandria ALEXAlex-ID: agm034204273 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Tm3SiSe2
2024-11-09 00:34:46.041873
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034204273).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm034204273
data_agm034204273
_cell_length_a 13.44555
_cell_length_b 12.82168
_cell_length_c 7.01832
_cell_angle_alpha 79.47671
_cell_angle_beta 69.64600
_cell_angle_gamma 30.87729
_cell_volume 565.02465
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tm1 Tm 0.16361 0.66421 0.32215 1.00000
Tm2 Tm 0.66421 0.16361 0.85003 1.00000
Tm3 Tm 0.08639 0.58579 0.92785 1.00000
Tm4 Tm 0.58579 0.08639 0.39997 1.00000
Tm5 Tm 0.01497 0.48503 0.48503 1.00000
Tm6 Tm 0.48503 0.01497 0.01497 1.00000
Tm7 Tm 0.39997 0.92785 0.58579 1.00000
Tm8 Tm 0.92785 0.39997 0.08639 1.00000
Tm9 Tm 0.85003 0.32215 0.66421 1.00000
Tm10 Tm 0.32215 0.85003 0.16361 1.00000
Tm11 Tm 0.23503 0.76497 0.76497 1.00000
Tm12 Tm 0.76497 0.23503 0.23503 1.00000
Si1 Si 0.91651 0.91651 0.08349 1.00000
Si2 Si 0.33349 0.33349 0.16651 1.00000
Si3 Si 0.16651 0.16651 0.33349 1.00000
Si4 Si 0.08349 0.08349 0.91651 1.00000
Se1 Se 0.99819 0.99819 0.50181 1.00000
Se2 Se 0.41837 0.41837 0.58163 1.00000
Se3 Se 0.83163 0.83163 0.66837 1.00000
Se4 Se 0.25181 0.25181 0.74819 1.00000
Se5 Se 0.74819 0.74819 0.25181 1.00000
Se6 Se 0.66837 0.66837 0.83163 1.00000
Se7 Se 0.58163 0.58163 0.41837 1.00000
Se8 Se 0.50181 0.50181 0.99819 1.00000
